methyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanoate

C10H12ClN3O4S2 — CID 61051278

IUPACmethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C10H12ClN3O4S2/c1-10(2,8(15)18-3)13-20(16,17)7-6(11)12-9-14(7)4-5-19-9/h4-5,13H,1-3H3
InChIKeyYDXRHCHBXDHXBR-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.28
Rot. Bonds4

About methyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanoate

methyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanoate (PubChem CID 61051278) has the molecular formula C10H12ClN3O4S2 and a molecular weight of 337.81 g/mol. Its IUPAC name is methyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanoate
PubChem CID61051278
Molecular FormulaC10H12ClN3O4S2
Molecular Weight337.81 g/mol
Exact Mass337.00
IUPAC Namemethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C10H12ClN3O4S2/c1-10(2,8(15)18-3)13-20(16,17)7-6(11)12-9-14(7)4-5-19-9/h4-5,13H,1-3H3
InChIKeyYDXRHCHBXDHXBR-UHFFFAOYSA-N
XLogP1.28
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-N-(2-methoxyethoxy)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 114009664
6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 65107340
6-chloro-N-methoxy-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61052679
2-[(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanamide
CID 62152600
ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate
CID 54921109
6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61247733
6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739497
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 60814143
6-chloro-N-(5-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739274
6-chloro-N-(2-chloro-5-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103768283
6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115610829
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103108338

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanoate (CID 61051278) is methyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanoate is COC(=O)C(C)(C)NS(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of methyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanoate?
The InChIKey is YDXRHCHBXDHXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O4S2/c1-10(2,8(15)18-3)13-20(16,17)7-6(11)12-9-14(7)4-5-19-9/h4-5,13H,1-3H3.
What are the key properties of methyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanoate?
methyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanoate has a molecular weight of 337.81 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanoate is sourced from PubChem (CID 61051278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).